- InChI
- InChI=1S/C10H13BrO/c1-2-7-12-8-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3
- InChI Key
- IRTWJYFVQHZLHQ-UHFFFAOYSA-N
- Formula
- C10H13BrO
- SMILES
- CCCOCc1ccccc1Br
- Molecular Weight1
- 229.11
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4721 | Relay (1.0) Calculated Property | |
| ΔfG° | 45.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.376 | Crippen Calculated Property | |
| McVol | 151.370 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Inp | [1426.00; 1426.00] |
|
|
| Inp | 1426.00 | NIST | |
| Inp | 1426.00 | NIST | |
| Tboil | 523.91 | K | Relay (1.0) Calculated Property |
| Tc | 731.99 | K | Relay (1.0) Calculated Property |
| Tfus | 228.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.537 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.07; 392.28] | J/mol×K | [548.44; 767.82] |
|
| Cp,gas | 322.07 | J/mol×K | 548.44 | Joback Calculated Property |
| Cp,gas | 335.63 | J/mol×K | 585.00 | Joback Calculated Property |
| Cp,gas | 348.41 | J/mol×K | 621.57 | Joback Calculated Property |
| Cp,gas | 360.44 | J/mol×K | 658.13 | Joback Calculated Property |
| Cp,gas | 371.74 | J/mol×K | 694.70 | Joback Calculated Property |
| Cp,gas | 382.35 | J/mol×K | 731.26 | Joback Calculated Property |
| Cp,gas | 392.28 | J/mol×K | 767.82 | Joback Calculated Property |
| η | [0.0002036; 0.0016322] | Pa×s | [323.43; 548.44] |
|
| η | 0.0016322 | Pa×s | 323.43 | Joback Calculated Property |
| η | 0.0009634 | Pa×s | 360.93 | Joback Calculated Property |
| η | 0.0006280 | Pa×s | 398.43 | Joback Calculated Property |
| η | 0.0004406 | Pa×s | 435.94 | Joback Calculated Property |
| η | 0.0003270 | Pa×s | 473.44 | Joback Calculated Property |
| η | 0.0002536 | Pa×s | 510.94 | Joback Calculated Property |
| η | 0.0002036 | Pa×s | 548.44 | Joback Calculated Property |
Similar Compounds
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Sources
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